phenyl 2-phenoxyprop-2-enoate

C15H12O3 — CID 141223374

IUPACphenyl 2-phenoxyprop-2-enoate
SMILESC=C(Oc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H12O3/c1-12(17-13-8-4-2-5-9-13)15(16)18-14-10-6-3-7-11-14/h2-11H,1H2
InChIKeyNIVMZCAJBIICTO-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.18
Rot. Bonds4

About phenyl 2-phenoxyprop-2-enoate

phenyl 2-phenoxyprop-2-enoate (PubChem CID 141223374) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is phenyl 2-phenoxyprop-2-enoate.

Molecular Properties

Compound Namephenyl 2-phenoxyprop-2-enoate
PubChem CID141223374
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namephenyl 2-phenoxyprop-2-enoate
SMILESC=C(Oc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H12O3/c1-12(17-13-8-4-2-5-9-13)15(16)18-14-10-6-3-7-11-14/h2-11H,1H2
InChIKeyNIVMZCAJBIICTO-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

iodo 2-phenoxyprop-2-enoate
CID 163654850
phenyl 2-iodoprop-2-enoate
CID 71551534
2-phenoxyprop-2-enethioic S-acid
CID 156524752
methyl 2-phenoxyprop-2-enoate;toluene
CID 174856414
diphenyl oxalate;ethane
CID 162013592
S-amino 2-phenoxyprop-2-enethioate
CID 152902947
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
butyl 2-phenoxyprop-2-enoate
CID 134306076
3-phenoxycarbonylbut-3-enoic acid
CID 23499954
phenyl 2-(trifluoromethyl)prop-2-enoate
CID 11413270
phenyl 3,3-dichloro-2-methylidenebutanoate
CID 19901659
2-O-chloro 1-O-phenyl oxalate
CID 54251565

Frequently Asked Questions

What is the IUPAC name of phenyl 2-phenoxyprop-2-enoate?
The IUPAC name of phenyl 2-phenoxyprop-2-enoate (CID 141223374) is phenyl 2-phenoxyprop-2-enoate.
What is the SMILES notation for phenyl 2-phenoxyprop-2-enoate?
The canonical SMILES for phenyl 2-phenoxyprop-2-enoate is C=C(Oc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-phenoxyprop-2-enoate?
The InChIKey is NIVMZCAJBIICTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-12(17-13-8-4-2-5-9-13)15(16)18-14-10-6-3-7-11-14/h2-11H,1H2.
What are the key properties of phenyl 2-phenoxyprop-2-enoate?
phenyl 2-phenoxyprop-2-enoate has a molecular weight of 240.26 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-phenoxyprop-2-enoate is sourced from PubChem (CID 141223374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).